6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one

C20H27N4O2+ — CID 2002922

IUPAC6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one
SMILESO=C(C1=CCC(=O)N(c2ccccc2)N1)N1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C20H26N4O2/c25-19-11-10-18(21-24(19)17-8-2-1-3-9-17)20(26)23-14-12-22(13-15-23)16-6-4-5-7-16/h1-3,8-10,16,21H,4-7,11-15H2/p+1
InChIKeyLWEOGOKUMVVZQU-UHFFFAOYSA-O
MW355.46 g/mol
LogP0.48
Rot. Bonds3

About 6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one

6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one (PubChem CID 2002922) has the molecular formula C20H27N4O2+ and a molecular weight of 355.46 g/mol. Its IUPAC name is 6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one
PubChem CID2002922
Molecular FormulaC20H27N4O2+
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one
SMILESO=C(C1=CCC(=O)N(c2ccccc2)N1)N1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C20H26N4O2/c25-19-11-10-18(21-24(19)17-8-2-1-3-9-17)20(26)23-14-12-22(13-15-23)16-6-4-5-7-16/h1-3,8-10,16,21H,4-7,11-15H2/p+1
InChIKeyLWEOGOKUMVVZQU-UHFFFAOYSA-O
XLogP0.48
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2022842
6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2013733
6-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2002838
6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2010571
2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2018085
1-(4-cycloheptylpiperazin-4-ium-1-yl)-2-phenylethanone
CID 4743044
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-oxo-2-phenyl-1,4-dihydropyridazine-6-carboxylate
CID 2467423
6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2028193
6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2035383
(4-cycloheptylpiperazin-4-ium-1-yl)-(3-fluorophenyl)methanone
CID 4744206
2-(4-chlorophenyl)-6-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2017874
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2008524

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one?
The IUPAC name of 6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one (CID 2002922) is 6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one is O=C(C1=CCC(=O)N(c2ccccc2)N1)N1CC[NH+](C2CCCC2)CC1.
What is the InChIKey of 6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one?
The InChIKey is LWEOGOKUMVVZQU-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N4O2/c25-19-11-10-18(21-24(19)17-8-2-1-3-9-17)20(26)23-14-12-22(13-15-23)16-6-4-5-7-16/h1-3,8-10,16,21H,4-7,11-15H2/p+1.
What are the key properties of 6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one?
6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one has a molecular weight of 355.46 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 2002922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).